Cis-3,5-Dimethoxystilbene
PubChem CID: 13556468
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| Compound Synonyms | Cis-3,5-Dimethoxystilbene, IQX4U3PABG, cis-Pinosylvin dimethyl ether, Pinosylvin dimethyl ether, (Z)-, UNII-IQX4U3PABG, Stilbene, 3,5-dimethoxy-, (Z)-, 21956-55-8, Benzene, 1,3-dimethoxy-5-((1Z)-2-phenylethenyl)-, (Z)-pinosylvin dimethyl ether, SCHEMBL9419809, CHEMBL2165238, DTXSID101250560, 1,3-dimethoxy-5-[(Z)-2-phenylethenyl]benzene, 1,3-Dimethoxy-5-[(1Z)-2-phenylethenyl]benzene, Q27280862 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dimethoxy-5-[(Z)-2-phenylethenyl]benzene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Is Pains | False |
| Molecular Formula | C16H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BIYGTLDPTJMNET-HJWRWDBZSA-N |
| Fcsp3 | 0.125 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Cis-3,5-Dimethoxystilbene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.115 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 240.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 240.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.161105733333333 |
| Inchi | InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8- |
| Smiles | COC1=CC(=CC(=C1)/C=C\C2=CC=CC=C2)OC |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amentotaxus Argotaenia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Amomum Krervanh (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Arachniodes Exilis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Castanea Mollissima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Eria Linearifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Parkia Clappertoniana (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Pericopsis Angolensis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Pinus Banksiana (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Polypodiodes Niponica (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Scutia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients